Geometry & MOs

Info

ID:	175594
PubChem CID:	75925424
Reduced:	SF2O2N3H19C23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	368.140593
ΔH_f, kcal/mol:	-97.55
Dipole, Da:	2.62
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=C(C=C(C=C2)F)F)C(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4

DOS

IR

Vibrations